Geometry & MOs

Info

ID:

421892

PubChem CID:

135116784

Reduced:

F2O3N4C15H18 (1)

Stoich.:

A2B3C4D15E18 (1)

Weight, g/mol:

565.301267

ΔHf, kcal/mol:

-141.26

Dipole, Da:

1.57

IP(EA), eV:

 -9.96(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-15-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC(=NN3C)C(F)F

DOS

IR

Vibrations